Iron in PDB 1rov: Lipoxygenase-3 Treated with Cumene Hydroperoxide

All present enzymatic activity of Lipoxygenase-3 Treated with Cumene Hydroperoxide:
1.13.11.12;

The structure of Lipoxygenase-3 Treated with Cumene Hydroperoxide, PDB code: 1rov was solved by A.Vahedi-Faridi, P.A.Brault, P.Shah, Y.W.Kim, W.R.Dunham, M.O.Funk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.37 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.001, 136.901, 61.512, 90.00, 96.24, 90.00
R / Rfree (%)	22.1 / 23.1

The binding sites of Iron atom in the Lipoxygenase-3 Treated with Cumene Hydroperoxide (pdb code 1rov). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Lipoxygenase-3 Treated with Cumene Hydroperoxide, PDB code: 1rov:

Iron binding site 1 out of 1 in the Lipoxygenase-3 Treated with Cumene Hydroperoxide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Lipoxygenase-3 Treated with Cumene Hydroperoxide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe858 b:40.4 occ:1.00 O A:HOH859 2.1 32.2 1.0 NE2 A:HIS518 2.4 33.5 1.0 NE2 A:HIS523 2.4 20.4 1.0 NE2 A:HIS709 2.4 12.0 1.0 O A:ILE857 2.4 35.1 1.0 OXT A:ILE857 2.8 37.0 1.0 C A:ILE857 3.0 31.9 1.0 CE1 A:HIS518 3.2 36.0 1.0 CE1 A:HIS523 3.2 21.9 1.0 CD2 A:HIS709 3.2 15.9 1.0 OD1 A:ASN713 3.3 22.6 1.0 CD2 A:HIS518 3.4 32.6 1.0 CD2 A:HIS523 3.4 20.4 1.0 CE1 A:HIS709 3.5 13.9 1.0 CG A:ASN713 3.9 21.6 1.0 ND1 A:HIS518 4.3 34.6 1.0 CB A:ASN713 4.3 17.6 1.0 CG2 A:ILE855 4.3 17.1 1.0 ND1 A:HIS523 4.4 19.3 1.0 CG A:HIS709 4.4 17.4 1.0 CG A:HIS518 4.5 29.0 1.0 CG A:HIS523 4.5 20.6 1.0 ND1 A:HIS709 4.5 14.1 1.0 CA A:ILE857 4.6 31.6 1.0 ND2 A:ASN713 4.7 17.9 1.0 N A:ILE857 5.0 29.4 1.0

A.Vahedi-Faridi, P.A.Brault, P.Shah, Y.W.Kim, W.R.Dunham, M.O.Funk. Interaction Between Non-Heme Iron of Lipoxygenases and Cumene Hydroperoxide: Basis For Enzyme Activation, Inactivation, and Inhibition J.Am.Chem.Soc. V. 126 2006 2004.
ISSN: ISSN 0002-7863
PubMed: 14971933
DOI: 10.1021/JA0390855